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PhD position in theoretical modelling of lithium ... (No replies)

xrocq44
3 years ago
xrocq44 3 years ago

Dear Psi-K community,

We are looking for a PhD candidate to theoretically investigate all-solid-state batteries based on
Lithium or Sodium. If you are interested, please send us your CV and one or two contact references at [email protected] and [email protected]. The PhD project will start in October 2023.

The PhD student will work in the Inorganic Theoretical Chemistry team of the Rennes Institute of
Chemical Sciences. The CTI team gathers several theoreticians (14-5 permanent staff members, 15 students) with complementary skills in theoretical chemistry but also physics, working with a broad set of quantum chemical tools, ranging from high precision ab initio wavefunction-based calculations to fast semi-empirical methods.

The PhD Student will be in charge of the DFT calculations in order to obtain in silico samples of
electrolytes and electrodes (in crystalline and glassy state). He will compute elastic and vibrational
(phonons) properties, as well solid-state NMR spectra. The selected student will have a solid
experience in solid state science and DFT calculations.

Best regards,

Xavier Rocquefelte and Eric Furet

PhD-LiBatt-CTI-2023.pdf



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Ab initio (from electronic structure) calculation of complex processes in materials